Compound Identification
SMILES
BrC1=CC=CC=C1C1=NN=C(COC(=O)C2=CC=CC(=C2)C#N)O1
InChIKey
InChIKey=KQTBJFKSKKSBBO-UHFFFAOYSA-N
Formula
C17H10BrN3O3
Mass
384.189
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Benzonitriles Bromobenzenes Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Carboxylic acid esters Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzonitrile - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available